2-amino-3-chloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide

C16H17ClN2O2 — CID 107860587

IUPAC2-amino-3-chloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
SMILESNc1c(Cl)cccc1C(=O)N[C@@H](CO)Cc1ccccc1
InChIInChI=1S/C16H17ClN2O2/c17-14-8-4-7-13(15(14)18)16(21)19-12(10-20)9-11-5-2-1-3-6-11/h1-8,12,20H,9-10,18H2,(H,19,21)/t12-/m1/s1
InChIKeyNASXOUYHGDBXOH-GFCCVEGCSA-N
MW304.78 g/mol
LogP2.26
Rot. Bonds5

About 2-amino-3-chloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide

2-amino-3-chloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide (PubChem CID 107860587) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 2-amino-3-chloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide.

Molecular Properties

Compound Name2-amino-3-chloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
PubChem CID107860587
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name2-amino-3-chloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
SMILESNc1c(Cl)cccc1C(=O)N[C@@H](CO)Cc1ccccc1
InChIInChI=1S/C16H17ClN2O2/c17-14-8-4-7-13(15(14)18)16(21)19-12(10-20)9-11-5-2-1-3-6-11/h1-8,12,20H,9-10,18H2,(H,19,21)/t12-/m1/s1
InChIKeyNASXOUYHGDBXOH-GFCCVEGCSA-N
XLogP2.26
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 42364147
2,3-dichloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 107861388
3-chloro-2-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 107861450
2,3-dihydroxy-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 102673829
2-amino-3-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 107861897
2-amino-3-chloro-N-(4-phenylbutan-2-yl)benzamide
CID 115540229
4-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-3-carboxamide
CID 102673766
N-(1-hydroxy-3-phenylpropan-2-yl)-2-iodobenzamide
CID 6709695
3-chloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide
CID 107861114
3-amino-4-chloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 107860609
2-benzoyl-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
CID 21190791
5-chloro-2-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
CID 63260573

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-chloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide?
The IUPAC name of 2-amino-3-chloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide (CID 107860587) is 2-amino-3-chloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide.
What is the SMILES notation for 2-amino-3-chloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide?
The canonical SMILES for 2-amino-3-chloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide is Nc1c(Cl)cccc1C(=O)N[C@@H](CO)Cc1ccccc1.
What is the InChIKey of 2-amino-3-chloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide?
The InChIKey is NASXOUYHGDBXOH-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c17-14-8-4-7-13(15(14)18)16(21)19-12(10-20)9-11-5-2-1-3-6-11/h1-8,12,20H,9-10,18H2,(H,19,21)/t12-/m1/s1.
What are the key properties of 2-amino-3-chloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide?
2-amino-3-chloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide has a molecular weight of 304.78 g/mol, XLogP of 2.26, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-chloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide is sourced from PubChem (CID 107860587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).